8-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C16H24N4O3 — CID 72875320

IUPAC8-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCc1[nH]nc(C(=O)N2CCC3(CC2)CNC(C(=O)O)C3)c1C
InChIInChI=1S/C16H24N4O3/c1-3-11-10(2)13(19-18-11)14(21)20-6-4-16(5-7-20)8-12(15(22)23)17-9-16/h12,17H,3-9H2,1-2H3,(H,18,19)(H,22,23)
InChIKeySFXWGOOYGWONSQ-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.95
Rot. Bonds3

About 8-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 72875320) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 8-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID72875320
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name8-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCc1[nH]nc(C(=O)N2CCC3(CC2)CNC(C(=O)O)C3)c1C
InChIInChI=1S/C16H24N4O3/c1-3-11-10(2)13(19-18-11)14(21)20-6-4-16(5-7-20)8-12(15(22)23)17-9-16/h12,17H,3-9H2,1-2H3,(H,18,19)(H,22,23)
InChIKeySFXWGOOYGWONSQ-UHFFFAOYSA-N
XLogP0.95
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 8-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid with MolForge

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Related Compounds

[4-(1-adamantyl)piperazin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone
CID 56886117
(3S)-8-(4,6-dimethylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97120302
(3R)-8-[2-(ethylamino)-4-methyl-1,3-thiazole-5-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97137582
3-[(dimethylamino)methyl]-8-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one;formic acid
CID 172912848
(3R)-8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97150471
(3S)-8-(5-methyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97122563
(3S)-8-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97135110
8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56915366
(3R)-8-(2-phenylethylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97148975
(3R)-8-(2-chloro-6-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97153688
8-[2-(1,3-benzodioxol-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72863629
(4-amino-5-ethyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 62081266

Frequently Asked Questions

What is the IUPAC name of 8-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 72875320) is 8-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CCc1[nH]nc(C(=O)N2CCC3(CC2)CNC(C(=O)O)C3)c1C.
What is the InChIKey of 8-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is SFXWGOOYGWONSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-3-11-10(2)13(19-18-11)14(21)20-6-4-16(5-7-20)8-12(15(22)23)17-9-16/h12,17H,3-9H2,1-2H3,(H,18,19)(H,22,23).
What are the key properties of 8-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 72875320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).